SCHEMBL11543283

SCHEMBL11543283

CC1CCN(c2cc(C(=O)O)cc(S(N)(=O)=O)c2Cc2ccc(Cl)cc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.40
▸ HSD17B10 Q99714 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ USP2 O75604 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ THRB P10828 1/20 0.38
▸ TBXA2R P21731 1/20 0.37
▸ MAPT P10636 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ CTDSP1 Q9GZU7 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11543847 0.91 KDM4E (0.42) KDM4EHSD17B10LMNAALDH1A1USP2
SCHEMBL11544486 0.91 ALDH1A1 (0.41) KDM4EHSD17B10LMNAALDH1A1USP2
SCHEMBL11548139 0.91 ALDH1A1 (0.47) KDM4EHSD17B10LMNAALDH1A1USP2
SCHEMBL11546423 0.89 HPGD (0.43) KDM4EHSD17B10LMNAALDH1A1USP2
SCHEMBL11544741 0.85 KDM4E (0.53) KDM4EHSD17B10LMNAALDH1A1USP2
SCHEMBL11543563 0.82 KDM4E (0.60) KDM4EHSD17B10LMNAALDH1A1USP2
SCHEMBL11545605 0.81 ALDH1A1 (0.45) KDM4EHSD17B10LMNAALDH1A1USP2
SCHEMBL11545420 0.81 KDM4E (0.40) KDM4EHSD17B10LMNAALDH1A1USP2
SCHEMBL11547756 0.80 ALDH1A1 (0.41) KDM4EHSD17B10LMNAALDH1A1USP2
SCHEMBL11548825 0.79 ALDH1A1 (0.45) KDM4EHSD17B10LMNAALDH1A1USP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4161531-A Diuretic and saluretic 5-sulfamoylbenzoic acid derivatives carrying a heterocyclic substituent HOECHST AKTIENGESELLSCHAFT (DE) 1979-07-17 — — US disclosed
US-4118397-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-10-03 — — US disclosed
US-4111953-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-05 — — US disclosed
US-4093735-A DIURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1978-06-06 — — US disclosed
US-4010273-A DIURETICS, SALURETICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-03-01 — — US disclosed
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